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Information card for entry 7029356
Preview
Coordinates | 7029356.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H13 Cu N5 O6 |
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Calculated formula | C16 H13 Cu N5 O6 |
SMILES | [Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c(C(=O)O2)c[nH]c1)ON(=O)=O.[Cu]12([n]3c4c5[n]1cccc5ccc4ccc3)([n]1c(C(=O)O2)c[nH]c1)[OH2].N(=O)(=O)[O-].O |
Title of publication | Cu(II) complexes with co-planar [Cu(II)(N-N)(HIMC(-))], their anti-cancer activities, ΔG, ΔE and solid luminescence. |
Authors of publication | Cheng, Yi-Feng; Lu, Xiao-Ming; Wang, Guo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 14 |
Pages of publication | 5357 - 5363 |
a | 10.602 ± 0.001 Å |
b | 13.5739 ± 0.0012 Å |
c | 13.6171 ± 0.0013 Å |
α | 96.686 ± 0.001° |
β | 107.126 ± 0.001° |
γ | 112.851 ± 0.002° |
Cell volume | 1665.5 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0862 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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